2-Chloro-N,N-diethylacetamide - CAS 2315-36-8

Name: 2-Chloro-N,N-diethylacetamide
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	2-chloro-N,N-diethylacetamide
Description:	2-Chloro-N,N-diethylacetamide (CAS# 2315-36-8) is used as a reagent in organic synthesis including that of 6-arylmethyl-3-(4-alkoxyphenyl)-7H-thiazolo[3,2-b]-1,2,4-triazin-7-one derivatives which act as acetylcholinesterase inhibitors. It is also used in the synthesis of triazoles as herbicides against Panicum crus-galli, Scirpus juncoides, Monochoria vaginalis and other weeds.
Molecular Weight:	149.62
Molecular Formula:	C6H12ClNO
Canonical SMILES:	CCN(CC)C(=O)CCl
InChI:	InChI=1S/C6H12ClNO/c1-3-8(4-2)6(9)5-7/h3-5H2,1-2H3
InChI Key:	CQQUWTMMFMJEFE-UHFFFAOYSA-N
Boiling Point:	121-122 °C (12 mmHg)
Purity:	98 %
Density:	1.089 g/cm³
Appearance:	Clear brown liquid
MDL:	MFCD00000928
LogP:	1.09360

GHS Hazard Statement:	H302 (90.91%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P261, P264, P270, P271, P280, P284, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P320, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

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PMID	Publication Date	Title	Journal
18398847	20080501	Characterization and quantitative analysis of surfactants in textile wastewater by liquid chromatography/quadrupole-time-of-flight mass spectrometry	Rapid communications in mass spectrometry : RCM
18371925	20080415	Simultaneous determination of one nonionic and two anionic surfactants using Fourier transform infrared spectrometry and multivariate analysis	Talanta
17123581	20070201	Removal of a broad range of surfactants from municipal wastewater--comparison between membrane bioreactor and conventional activated sludge treatment	Chemosphere
16808959	20070101	Radiolytic decomposition of multi-class surfactants and their biotransformation products in sewage treatment plant effluents	Chemosphere
16955908	20060815	Evaluation of a newly developed enzyme-linked immunosorbent assay for determination of linear alkyl benzenesulfonates in wastewater treatment plants	Environmental science & technology

Complexity:	91.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	149.0607417
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	149.0607417
Rotatable Bond Count:	3
Topological Polar Surface Area:	20.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1